Version2.0 2020-07-30T01:58:07Z 10.1021/jm300687e Gaussian16 RevisionB.01 SBUNGAY 12-Jul-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE C[C@H](c1ccccc1)[NH2+]Cc2cc(c(cc2O)C[NH2+][C@@H](C)c3ccccc3)O C01680967 RHF 6-31G(d) (6D,7F) C[C@H](c1ccccc1)[NH2+]Cc2cc(c(cc2O)C[NH2+][C@@H](C)c3ccccc3)O C01[X(C24H30N2O2)] 168 C1 480 C[C@H](c1ccccc1)[NH2+]Cc1cc(O)c(cc1O)C[NH2+][C@H](c1ccccc1)C C[C@H](c1ccccc1)[NH2+]Cc1cc(O)c(cc1O)C[NH2+][C@H](c1ccccc1)C C[C@@H]([NH2+]Cc1cc(O)c(C[NH2+][C@@H](C)c2ccccc2)cc1O)c3ccccc3 InChIKey=LWEZAHAWRCMFBJ-HDICACEKSA-P InChI=1S/C24H28N2O2/c1-17(19-9-5-3-6-10-19)25-15-21-13-24(28)22(14-23(21)27)16-26-18(2)20-11-7-4-8-12-20/h3-14,17-18,25-28H,15-16H2,1-2H3/p+2/t17-,18+ InChI=1/C24H28N2O2/c1-17(19-9-5-3-6-10-19)25-15-21-13-24(28)22(14-23(21)27)16-26-18(2)20-11-7-4-8-12-20/h3-14,17-18,25-28H,15-16H2,1-2H3/p+2/t17-,18+/fC24H30N2O2/h25-26H/q+2 C[C@H](c1ccccc1)[NH2+]Cc2cc(c(cc2O)C[NH2+][C@@H](C)c3ccccc3)O C01[X(C24H30N2O2)] 168 C01 480 C[C@H](c1ccccc1)[NH2+]Cc1cc(O)c(cc1O)C[NH2+][C@H](c1ccccc1)C C[C@H]([C]1[CH][CH][CH][CH][CH]1)[NH2]C[C]1[CH][C]([C]([CH][C]1O)C[NH2][C@H]([C]1[CH][CH][CH][CH][CH]1)C)O C[C@@H]([NH2]C[C]1[CH][C](O)[C]([CH][C]1O)C[NH2][C@@H](C)[C]2[CH][CH][CH][CH][CH]2)[C]3[CH][CH][CH][CH][CH]3 InChIKey=NZWODOZOOXZUTR-HDICACEKSA-N InChI=1S/C24H30N2O2/c1-17(19-9-5-3-6-10-19)25-15-21-13-24(28)22(14-23(21)27)16-26-18(2)20-11-7-4-8-12-20/h3-14,17-18,27-28H,15-16,25-26H2,1-2H3/t17-,18+ InChI=1/C24H30N2O2/c1-17(19-9-5-3-6-10-19)25-15-21-13-24(28)22(14-23(21)27)16-26-18(2)20-11-7-4-8-12-20/h3-14,17-18,27-28H,15-16,25-26H2,1-2H3/t17-,18+ 2418.8392168531 -1184.4712937 1-A 20025.9932 101 379 480 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -20.82972 -20.82950 -15.91051 -15.91006 -11.53630 -11.53602 -11.52660 -11.52656 -11.51215 -11.51184 -11.48813 -11.48797 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131.6901 140.4235 169.1781 189.3934 227.5602 230.9943 241.9853 256.6915 266.6888 271.7166 275.5798 297.6334 302.3757 313.8351 319.6881 345.7510 355.4928 378.9532 382.1438 401.7247 452.5054 452.5502 478.7341 489.8295 510.3727 521.3247 533.8090 576.5768 590.0102 596.5095 641.5451 645.2018 667.8606 677.0298 677.2289 757.8406 770.9598 777.0019 780.6095 806.3642 815.4756 841.8545 845.8470 860.3095 861.1368 875.5989 887.1510 910.8259 921.5113 937.8149 956.1290 956.2516 989.9201 1003.4436 1049.9466 1050.7947 1060.2502 1064.3984 1067.7358 1076.0878 1089.5293 1089.5714 1112.3634 1112.4440 1117.2897 1119.4186 1134.7088 1137.9132 1152.4193 1152.4312 1166.0922 1169.2869 1175.9158 1193.1804 1194.7111 1208.5253 1217.1996 1217.4207 1240.3402 1247.4948 1301.1253 1304.9374 1309.1482 1309.4007 1315.1985 1326.1519 1336.5117 1350.4566 1352.4331 1365.9645 1379.5646 1395.9073 1442.2355 1445.3775 1451.0505 1459.5310 1484.1931 1488.2322 1504.0885 1506.9102 1530.2115 1536.3908 1551.3621 1553.6007 1574.2116 1578.3291 1588.3055 1601.6474 1612.4482 1626.7463 1627.0064 1631.1603 1632.2935 1641.6734 1642.7588 1643.4623 1645.2791 1672.0050 1672.0870 1704.9795 1784.8371 1784.8953 1802.5826 1802.6841 1803.1843 1826.5715 1829.7558 1838.2096 3229.2903 3232.1742 3284.3537 3285.1794 3286.4313 3290.0597 3304.2832 3306.7392 3321.1657 3321.3960 3355.0359 3356.6036 3357.4487 3358.0794 3358.4155 3358.5502 3366.9637 3368.3892 3385.8241 3385.8805 3396.0998 3396.1577 3407.2788 3407.3578 3655.0330 3660.3405 3725.4362 3725.5681 4082.3930 4084.3499 4.7381 4.5729 3.8487 4.0549 4.7168 4.5981 4.2434 4.1072 4.8376 2.6514 3.1497 3.0949 4.3393 4.2047 3.8120 2.8612 4.1284 2.2260 1.2068 1.9616 1.6659 2.4920 1.9586 1.5152 1.1538 3.1604 3.4527 3.6290 3.6753 5.3858 2.8823 2.8837 5.1220 4.6873 2.8090 3.7950 3.1028 3.9654 3.4313 3.3267 3.9028 3.9478 3.8213 6.3709 6.1897 5.3723 4.4289 2.0761 1.9747 3.1082 4.9450 3.3760 3.5021 1.6937 1.7060 1.4715 1.3842 2.6866 2.9741 2.3990 1.2496 1.2504 1.5063 1.4903 1.4225 1.3817 1.9757 2.6618 3.0534 1.4540 5.7393 5.7568 1.3750 1.3697 2.9399 2.9949 2.1497 2.1524 1.3544 1.3548 2.0094 1.8648 2.4305 1.7531 1.8913 4.0572 2.4618 2.2397 1.7570 1.6001 1.6724 1.3532 1.1525 1.1701 1.3475 1.7362 2.2571 1.7324 1.7734 1.3748 1.5527 1.7795 1.4053 1.3729 4.2614 1.4811 1.3377 1.2918 1.2547 1.2586 1.4029 1.3595 1.1367 1.1371 1.2808 1.2553 1.4095 1.3536 2.4583 2.0528 2.0315 1.0717 1.0908 1.0863 1.0937 1.0608 1.1204 2.1135 2.1104 2.9336 5.0372 5.0245 4.9258 5.0026 6.5703 1.0882 1.0847 6.3250 1.0386 1.0378 1.0655 1.0916 1.0943 1.0646 1.0972 1.0985 1.1023 1.1028 1.1094 1.0912 1.0911 1.0904 1.1018 1.0942 1.0940 1.0945 1.0912 1.0912 1.0952 1.0952 1.0990 1.0990 1.0577 1.0565 1.0956 1.0947 1.0673 1.0676 0.0004 0.0008 0.0011 0.0023 0.0028 0.0052 0.0064 0.0088 0.0217 0.0243 0.0322 0.0360 0.0732 0.0889 0.1163 0.0900 0.1424 0.0864 0.0506 0.0853 0.0745 0.1301 0.1055 0.0879 0.0695 0.2226 0.2571 0.3071 0.3162 0.5121 0.3477 0.3480 0.6916 0.6626 0.4311 0.6077 0.5209 0.7767 0.7038 0.6974 0.9464 0.9683 1.0042 1.7205 1.6726 1.8179 1.5510 0.7385 0.7090 1.1908 1.9375 1.4097 1.4763 0.7386 0.7454 0.6647 0.6419 1.3132 1.4880 1.2431 0.6730 0.6737 0.8697 0.8841 0.9239 0.8989 1.3085 1.7768 2.0510 0.9920 4.0141 4.0266 1.0024 0.9987 2.1623 2.2111 1.6308 1.6421 1.0598 1.0601 1.6098 1.5022 1.9801 1.4705 1.5905 3.4913 2.1489 1.9558 1.5926 1.4672 1.6681 1.3576 1.1638 1.1820 1.3733 1.7990 2.3755 1.8614 1.9112 1.5113 1.7411 2.0430 1.7222 1.6899 5.2865 1.8589 1.7362 1.6857 1.6724 1.6839 1.9355 1.8907 1.6118 1.6171 1.8701 1.8425 2.0950 2.0458 3.7658 3.2006 3.1684 1.6801 1.7124 1.7249 1.7390 1.6881 1.7869 3.4812 3.4764 5.0244 9.4545 9.4313 9.4300 9.5782 12.5868 2.1392 2.1396 12.5921 6.3814 6.3877 6.7718 6.9413 6.9637 6.7893 7.0583 7.0773 7.1638 7.1679 7.3575 7.2435 7.2464 7.2445 7.3216 7.2720 7.3069 7.3170 7.3703 7.3704 7.4426 7.4427 7.5175 7.5178 8.3250 8.3399 8.9592 8.9519 10.4804 10.4932 0.2531 0.0760 0.2356 0.1385 0.8908 0.3659 0.1591 0.0818 0.3073 1.8717 2.3274 2.2549 1.6454 1.7139 1.7963 4.0616 0.3006 4.7174 0.4048 0.5724 5.0915 5.3529 18.2533 34.4266 223.3767 8.4726 3.3140 5.0050 9.5932 9.6738 0.0613 0.1109 5.8567 5.0715 10.8037 5.3618 11.0392 1.1874 1.1631 79.1423 5.0977 0.9630 0.9709 0.1189 0.4775 11.3043 7.9414 59.8561 2.5030 43.1090 1.2807 1.6455 1.3818 53.2578 38.8965 10.1445 8.6002 71.6619 2.8932 17.7955 0.0981 0.0653 7.2471 60.1965 14.7396 2.2888 45.8178 35.5194 63.3675 17.6602 0.7607 1.1768 0.3125 0.2017 6.2905 11.2040 11.7558 2.9624 0.0048 0.0090 88.9879 15.9281 48.0280 6.3650 18.1198 5.9389 25.8042 3.6270 3.6934 0.5894 26.0945 1.9605 0.9517 0.7980 0.1337 63.3846 102.1583 15.0672 19.3388 7.8458 102.6422 9.6827 6.7171 57.3688 3.1058 6.4586 64.8621 32.5714 35.2266 25.9459 53.6287 39.1685 5.6193 76.0261 135.0300 25.3866 186.8587 106.2112 418.4925 23.0306 18.9511 2.5740 6.6548 4.6945 15.0236 16.3784 40.1202 7.8658 7.9609 47.9886 2.8485 2.9566 4.7736 2.7812 0.2922 41.9174 47.3371 0.1957 8.1471 7.7809 1.3900 1.8013 2.7395 1.1464 21.5123 23.9653 4.5059 4.5565 1.1936 8.3692 8.3608 10.5269 4.9823 6.5757 5.0571 0.3962 0.6923 0.6391 8.3931 8.3215 4.2829 4.4666 64.3372 47.5374 72.7073 53.7080 344.2500 19.3370 2.0620 2.2341 1.9339 9.1416 5.3023 8.7704 1.2606 0.4375 2.4886 0.2884 0.3541 0.7150 3.0399 1.7963 0.8102 0.3857 2.1990 0.8310 0.3221 0.2431 0.8334 3.8663 1.7140 0.7723 0.8514 2.5106 1.2716 1.5789 1.2374 1.1003 0.0783 0.0413 1.7387 5.0546 1.4538 4.5204 0.2106 2.4066 0.6287 0.7972 1.4490 2.0762 1.4609 7.8014 3.1348 6.5744 0.9815 0.2163 2.4976 0.5579 5.9214 2.7656 21.1730 1.9116 2.3566 0.8760 2.2079 0.9369 30.5405 1.9519 2.0278 1.8298 2.3214 0.9903 1.4249 2.3825 2.2000 0.9422 3.5717 0.9886 17.8382 45.2120 0.2444 0.0807 18.4044 43.8052 4.7441 7.6154 0.1413 0.1801 4.5989 5.8875 0.4820 0.7338 0.3636 2.1245 1.8715 6.6211 1.8765 2.2413 11.7508 11.9508 3.7651 4.5194 3.2287 1.3900 13.5922 3.4785 2.5214 5.3803 2.0940 0.2994 2.4680 2.5725 37.9650 3.3266 0.8609 3.8668 2.6296 4.2859 1.1870 12.6440 7.7253 10.8659 3.8217 2.5452 1.7786 5.0995 3.9845 0.7803 1.0347 10.5004 13.8873 7.7919 28.9275 11.3475 2.5834 0.3472 0.3337 0.4983 7.2921 6.9926 41.3826 48.0915 10.9085 13.8643 9.1237 81.8750 95.9726 99.0159 62.2277 28.1403 47.4350 63.3892 62.9848 64.7421 79.8502 90.4776 42.5739 47.7967 46.4765 40.4348 32.2933 27.7569 3.7068 144.4626 82.3287 80.4375 59.5536 58.6663 223.1298 249.7873 18.2437 19.7216 9.3159 12.9398 10.3280 129.6055 0.7446 0.7355 0.7499 0.7470 0.7498 0.7500 0.7482 0.5438 0.6967 0.6912 0.7500 0.7133 0.2123 0.1629 0.6236 0.7497 0.7468 0.2061 0.3402 0.7063 0.5543 0.7167 0.7474 0.7204 0.6299 0.3887 0.3271 0.4710 0.4901 0.7448 0.6914 0.7058 0.7473 0.2936 0.0959 0.6771 0.7497 0.4829 0.5137 0.7499 0.6570 0.2536 0.0793 0.7495 0.7121 0.1093 0.7434 0.7296 0.4238 0.7176 0.4998 0.5060 0.1040 0.2502 0.1499 0.7139 0.7234 0.6873 0.3248 0.4402 0.7500 0.7451 0.7478 0.2558 0.2766 0.0314 0.5315 0.4311 0.7490 0.7490 0.1868 0.0535 0.6774 0.3594 0.4184 0.0668 0.7218 0.7282 0.5821 0.5487 0.5843 0.3962 0.7452 0.6837 0.7305 0.2454 0.5341 0.6345 0.2886 0.3738 0.1067 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1 1 1 1 1 12.00000 12.00000 1.00783 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 1.00783 1.00783 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 15.99491 12.00000 14.00307 1.00783 1.00783 12.00000 1.00783 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 15.99491 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 5919.2515 32089.6361 34454.7467 0.99999 -0.00090 0.00356 0.00088 0.99998 0.00660 -0.00357 -0.00660 0.99997 1 0.01463 0.00270 0.00251 0.30489 0.05624 0.05238 17.34 24.61 31.28 44.60 45.73 63.28 72.83 86.95 125.43 179.58 189.47 202.04 243.41 272.49 327.41 332.35 348.16 369.32 383.71 390.94 396.50 428.23 435.05 451.54 459.96 497.46 511.47 545.23 549.82 577.99 651.05 651.12 688.79 704.76 734.31 750.07 768.03 829.57 848.89 858.24 923.04 928.30 960.90 974.09 974.38 1090.36 1109.24 1117.93 1123.12 1160.18 1173.29 1211.24 1216.99 1237.79 1238.98 1259.79 1276.41 1310.48 1325.85 1349.31 1375.66 1375.83 1424.27 1443.73 1510.64 1511.86 1525.46 1531.43 1536.23 1548.25 1567.59 1567.65 1600.44 1600.56 1607.53 1610.59 1632.59 1637.20 1658.07 1658.09 1677.75 1682.34 1691.88 1716.72 1718.92 1738.80 1751.28 1751.60 1784.57 1794.87 1872.03 1877.51 1883.57 1883.94 1892.28 1908.04 1922.94 1943.01 1945.85 1965.32 1984.89 2008.40 2075.06 2079.58 2087.74 2099.94 2135.42 2141.23 2164.05 2168.11 2201.63 2210.52 2232.06 2235.28 2264.94 2270.86 2285.22 2304.41 2319.95 2340.53 2340.90 2346.88 2348.51 2362.00 2363.56 2364.58 2367.19 2405.64 2405.76 2453.09 2567.98 2568.07 2593.51 2593.66 2594.38 2628.03 2632.61 2644.77 4646.23 4650.38 4725.45 4726.64 4728.44 4733.66 4754.13 4757.66 4778.42 4778.75 4827.15 4829.40 4830.62 4831.53 4832.01 4832.20 4844.31 4846.36 4871.45 4871.53 4886.23 4886.31 4902.31 4902.43 5258.78 5266.41 5360.07 5360.26 5873.65 5876.47 0.542851 0.568077 0.569021 0.483163 -1183.928442 -1183.903217 -1183.902272 -1183.988131 2.879725D-04 MUNgauss RevisionA2.0 retrievium 30-Jul-2020 DUDE C[C@H](c1ccccc1)[NH2+]Cc2cc(c(cc2O)C[NH2+][C@@H](C)c3ccccc3)O C01680967 RHF 6-31G(d) (6D,10F) C1 378.230728 |X|Y|Z| 48.897805 33.846787 128.410977 59.676451 24 6 7 22 2 |36.858105| |12.495840|36.858105| |8.876954|17.622429|0.500000| |7.406386|12.586707|0.248356|36.858105| |5.116766|7.606720|0.206410|13.708333|36.858105| |3.900924|5.030661|0.134093|7.907068|13.743188|36.858105| |3.691876|4.436132|0.111394|6.849842|7.942394|13.761713|36.858105| |4.323973|5.006303|0.116686|7.912630|6.878031|7.936224|13.729013|36.858105| |6.199972|7.507498|0.155412|13.673421|7.933566|6.869083|7.934681|13.771725|36.858105| |7.578873|12.397251|0.254223|7.765183|5.666376|4.197302|3.839637|4.330332|5.993439|53.358707| |7.004355|9.120595|0.181401|7.149821|5.050897|3.995824|3.880487|4.622391|6.523804|25.689008|0.500000| |5.661202|9.192454|0.223604|7.531067|6.194415|4.583196|4.059184|4.372775|5.689269|25.642504|0.328436|0.500000| |6.140584|7.361215|0.194289|4.956964|4.095573|3.222089|2.959414|3.237785|4.122272|17.308862|0.255205|0.258302|36.858105| |4.220451|4.868849|0.129499|3.864754|3.369858|2.806187|2.627523|2.841340|3.426929|10.373579|0.193890|0.200883|12.600069|36.858105| |3.633697|3.838685|0.101016|3.158767|2.761987|2.376276|2.280403|2.487659|2.938359|7.209655|0.148482|0.135600|7.553264|13.726301|36.858105| |2.887700|3.062932|0.081753|2.654679|2.393582|2.116861|2.044822|2.199664|2.513015|5.432474|0.112923|0.108199|5.020833|7.916357|13.770568|36.858105| |2.624861|2.885034|0.078162|2.576044|2.387738|2.134715|2.046547|2.160744|2.422105|5.080270|0.103721|0.107135|4.430263|6.826716|7.918512|13.705711|36.858105| |2.826076|3.259522|0.089414|2.924878|2.753546|2.434787|2.291540|2.386763|2.681872|5.912475|0.116610|0.132410|5.028267|7.916231|6.890896|7.953720|13.727969|36.858105| |3.510271|4.243655|0.116656|3.639572|3.358129|2.851458|2.634311|2.762677|3.211697|8.440067|0.156552|0.195354|7.577936|13.704061|7.954970|6.884899|7.918427|13.769996|36.858105| |3.644803|4.756961|0.136019|4.201415|4.064450|3.373625|2.997835|3.050450|3.527853|9.138911|0.156812|0.249651|6.928000|8.168893|5.283875|4.622655|5.195299|7.900729|14.052546|73.516695| |2.173700|2.351869|0.064116|2.155725|2.033721|1.859403|1.795899|1.877773|2.056230|3.932263|0.080729|0.083048|3.280733|4.430528|5.031593|7.587090|12.602715|7.548649|5.020002|6.864896|36.858105| |2.040972|2.172125|0.058255|2.023509|1.894123|1.755675|1.726401|1.822341|1.977172|3.582392|0.075649|0.074735|2.891538|3.736534|4.346399|6.200732|7.631009|5.309286|3.998476|5.710731|12.718840|53.358707| |2.094253|2.191244|0.058427|2.020880|1.869835|1.725616|1.703952|1.815519|1.984387|3.608253|0.076827|0.073798|2.950768|3.793289|4.675752|6.858326|7.070416|4.801473|3.834823|5.434179|9.279514|25.648710|0.500000| |2.106726|2.261175|0.060024|2.133215|1.990925|1.855022|1.837251|1.947069|2.104376|3.761902|0.080646|0.079145|2.956878|3.814995|4.308555|5.816015|7.174515|5.444469|4.141781|5.967496|9.221740|25.687766|0.329139|0.500000| |1.752789|1.853036|0.050032|1.750856|1.660389|1.560206|1.538937|1.609911|1.719583|2.964875|0.062258|0.061972|2.350421|2.883904|3.233212|4.187220|4.869141|3.882172|3.084150|4.657166|7.357811|16.875342|0.252483|0.255595|36.858105| |1.708625|1.827357|0.049603|1.741170|1.669231|1.576054|1.548449|1.605173|1.702854|2.915140|0.060775|0.061762|2.286838|2.791208|3.019541|3.805050|4.648702|3.935841|3.081459|4.743993|6.992837|12.434833|0.180902|0.221570|17.619604|0.500000| |1.650042|1.724774|0.046994|1.614593|1.535081|1.437700|1.410829|1.471519|1.575543|2.720004|0.056476|0.056312|2.192152|2.643556|2.994868|3.826200|4.225731|3.382556|2.767219|4.210837|6.124176|10.320524|0.195665|0.157471|12.491422|0.246512|36.858105| |1.673170|1.752873|0.046859|1.676661|1.583203|1.502615|1.501728|1.580660|1.674278|2.775125|0.059154|0.057654|2.152824|2.573978|2.873274|3.544087|3.866357|3.226331|2.692854|4.150915|4.957553|10.569603|0.196514|0.210930|12.587229|0.248371|7.410107|36.858105| |1.595787|1.683650|0.044952|1.636912|1.557748|1.495720|1.502915|1.573646|1.645398|2.644349|0.056484|0.055470|2.006417|2.359963|2.549695|3.026435|3.351021|2.962036|2.507321|3.967550|4.082648|7.664241|0.138340|0.170867|7.604398|0.206545|5.133388|13.710722|36.858105| |1.511254|1.581033|0.042006|1.550573|1.473164|1.426147|1.447331|1.520632|1.577161|2.451618|0.052732|0.051123|1.836679|2.113318|2.272766|2.614065|2.794988|2.521293|2.207778|3.547098|3.215556|5.691749|0.109725|0.127077|5.029756|0.134118|3.909526|7.907143|13.740753|36.858105| |1.495184|1.543311|0.040861|1.505947|1.419706|1.370985|1.396940|1.478918|1.539830|2.380225|0.051440|0.049033|1.791011|2.042980|2.232701|2.548985|2.627782|2.339242|2.084831|3.334459|2.959479|5.224483|0.106925|0.113401|4.436355|0.111393|3.694755|6.850339|7.942620|13.763756|36.858105| |1.558184|1.595926|0.042272|1.536601|1.438716|1.376151|1.395932|1.484756|1.563421|2.473930|0.053429|0.050513|1.892476|2.176597|2.439924|2.835055|2.854006|2.461970|2.187151|3.439991|3.244718|5.914162|0.127897|0.123074|5.007657|0.116667|4.319592|7.913452|6.878220|7.936004|13.726664|36.858105| |1.650282|1.700524|0.045248|1.619465|1.516288|1.437548|1.444809|1.533090|1.628783|2.670308|0.057296|0.054650|2.078098|2.446681|2.789725|3.380801|3.449455|2.863920|2.474802|3.816141|4.136566|8.214239|0.181062|0.161078|7.510800|0.155356|6.180970|13.672186|7.933279|6.868536|7.934383|13.773919|36.858105| |2.528236|2.594261|0.069183|2.286540|2.070538|1.860988|1.818804|1.959313|2.206918|4.364629|0.092001|0.085971|3.862552|5.194035|7.900136|14.045898|8.164390|5.281930|4.621896|6.184018|6.936112|9.113701|0.244691|0.161272|4.607511|0.109274|4.408890|3.934889|3.196689|2.767680|2.774276|3.215922|3.946753|73.516695| |17.571270|8.736771|0.173064|6.556017|4.499127|3.637991|3.635768|4.491497|6.528214|9.409706|0.207554|0.144632|5.578882|4.114169|3.685337|2.937345|2.634034|2.783162|3.389086|6.063710|2.187684|2.846725|0.060072|0.060395|1.791494|0.048211|1.676449|1.729103|1.649431|1.571967|1.564708|1.632247|1.718339|4.628151|0.500000| |17.590157|8.751230|0.217054|5.437360|4.195069|3.287838|3.080978|3.481850|4.619225|9.163710|0.167054|0.141446|6.663775|4.431212|3.891392|3.034518|2.703958|2.869148|3.559237|6.385371|2.230450|2.824722|0.059565|0.058778|1.778222|0.047918|1.692398|1.684290|1.590753|1.499643|1.488593|1.564275|1.667465|4.738352|0.300419|0.500000| |17.609193|8.949565|0.209661|6.909751|5.114051|3.992989|3.778951|4.351562|5.940535|7.536412|0.144051|0.126868|4.639579|3.431480|3.017066|2.483208|2.292273|2.461523|2.976608|5.581026|1.939998|2.491780|0.051997|0.052393|1.595565|0.043364|1.509258|1.530142|1.468067|1.398275|1.384334|1.435946|1.510965|3.934073|0.302623|0.303068|0.500000| |4.779329|7.062070|0.229473|8.886909|17.695799|8.937589|5.653414|4.953111|5.635122|7.354003|0.126772|0.167168|4.168570|3.407148|2.759229|2.395075|2.406811|2.804816|3.445128|7.635692|2.049821|2.560441|0.051420|0.054443|1.651867|0.046279|1.538219|1.559371|1.528329|1.436452|1.381242|1.403790|1.488302|3.666782|0.112554|0.114925|0.132464|0.500000| |3.290595|4.107054|0.114878|5.636097|8.924450|17.735436|8.914192|5.643813|4.951461|4.830183|0.092974|0.108479|2.859756|2.542119|2.169807|1.961413|1.999367|2.282844|2.628880|5.556512|1.763632|2.259406|0.045097|0.048530|1.489137|0.042020|1.377298|1.430986|1.429727|1.362604|1.305299|1.306094|1.364141|3.081867|0.084909|0.079716|0.094052|0.216151|0.500000| |3.071161|3.548515|0.091194|4.941322|5.648576|8.921568|17.734392|8.913501|5.647576|4.323679|0.089659|0.093198|2.547765|2.315601|2.043625|1.862199|1.874935|2.082793|2.342642|4.685360|1.670250|2.200610|0.044219|0.047809|1.456822|0.040839|1.336121|1.429800|1.441174|1.396150|1.346029|1.336715|1.375367|2.976083|0.084823|0.073117|0.087712|0.124336|0.214852|0.500000| |3.760650|4.081508|0.096433|5.637040|4.955964|5.646135|8.907787|17.734082|8.935951|5.025064|0.112285|0.102148|2.878264|2.588212|2.325184|2.081748|2.037401|2.213321|2.507613|4.798904|1.791490|2.400165|0.048961|0.052493|1.568137|0.043311|1.431180|1.556742|1.556904|1.518904|1.484053|1.484019|1.518543|3.343685|0.112524|0.086250|0.105214|0.107550|0.124108|0.214903|0.500000| |6.704314|6.892343|0.139717|8.841179|5.628185|4.949145|5.656934|8.975650|17.699973|8.046951|0.195219|0.145459|4.205988|3.505606|3.091783|2.617214|2.466642|2.669529|3.171622|5.929766|2.088690|2.765011|0.057269|0.060093|1.758480|0.047929|1.611557|1.723629|1.684286|1.621326|1.596996|1.630501|1.693472|4.123718|0.228051|0.137312|0.170776|0.123556|0.107486|0.124515|0.217293|0.500000| |5.664119|6.970420|0.218182|4.709769|4.138290|3.210450|2.857808|3.024856|3.757617|12.477974|0.180989|0.221429|17.620518|8.873742|5.914817|4.340255|4.009339|4.646980|6.788322|12.357163|3.066844|3.614025|0.074448|0.074451|2.202025|0.060088|2.083124|2.000300|1.870716|1.710098|1.661414|1.749781|1.921588|6.098677|0.133645|0.176824|0.125618|0.123738|0.080670|0.068632|0.074117|0.102862|0.500000| |6.848958|6.705521|0.170437|4.517897|3.656512|2.938691|2.761744|3.079336|3.934256|12.367955|0.221199|0.181277|17.678698|8.875916|7.290520|4.771871|3.973264|4.186363|5.593959|8.883180|3.036521|3.736674|0.079549|0.077340|2.250424|0.060044|2.124128|2.084584|1.929497|1.782103|1.760776|1.876003|2.048713|6.889024|0.178535|0.230475|0.138922|0.101633|0.072446|0.066537|0.077413|0.116448|0.301532|0.500000| |3.831759|3.799402|0.098764|3.079709|2.649037|2.281223|2.209442|2.440068|2.904727|6.766991|0.142288|0.120951|6.992531|8.907491|17.702795|8.941456|5.641116|4.960179|5.648595|7.579205|4.105961|5.108264|0.115423|0.102797|2.907687|0.074650|2.752352|2.652743|2.353178|2.136944|2.137830|2.354682|2.651361|12.702151|0.110087|0.117340|0.087818|0.073023|0.057645|0.055031|0.063841|0.086796|0.152501|0.223723|0.500000| |2.534469|2.941761|0.081626|2.725747|2.641000|2.379722|2.230893|2.280750|2.505208|5.107211|0.100410|0.117300|4.103074|5.639900|4.960199|5.648132|8.907523|17.703015|8.940035|12.698883|6.984645|6.784368|0.119498|0.143486|3.875700|0.114743|3.339856|3.194108|3.012368|2.540131|2.308598|2.386236|2.761823|7.576989|0.069024|0.070725|0.062475|0.075160|0.062899|0.056907|0.058836|0.068276|0.109435|0.096286|0.107628|0.500000| |3.120470|3.959724|0.114612|3.670813|3.708465|3.193957|2.831015|2.813392|3.142577|6.943453|0.124518|0.181094|5.171621|6.038680|4.408550|4.133464|4.902105|7.578587|9.834257|35.646313|3.853402|4.315341|0.082037|0.091918|2.635450|0.076059|2.377193|2.330255|2.250709|2.000026|1.859022|1.902391|2.112501|5.702513|0.081548|0.085307|0.076708|0.109960|0.084364|0.070343|0.069718|0.081889|0.148170|0.111528|0.100634|0.223537|0.500000| |2.057206|2.256346|0.061984|2.100972|2.015259|1.858218|1.786819|1.845358|1.997364|3.729029|0.075893|0.080423|3.031747|3.966181|4.181682|5.588555|8.850773|7.262703|4.760173|6.873619|17.640179|12.407524|0.181310|0.217895|6.919336|0.216304|5.615145|4.692384|4.115160|3.198528|2.852647|3.023373|3.756067|8.881984|0.057125|0.058141|0.051432|0.056668|0.049369|0.046394|0.048812|0.055692|0.080189|0.076820|0.096218|0.222661|0.111832|0.500000| |2.068028|2.205563|0.060694|2.004713|1.895985|1.731054|1.666906|1.738834|1.904882|3.614837|0.073461|0.075314|3.070281|4.014863|4.659132|6.816895|8.897988|5.917202|4.343616|6.100416|17.660645|12.435423|0.225023|0.181094|6.739536|0.171350|6.869054|4.531232|3.659208|2.940560|2.765806|3.087804|3.950368|12.418407|0.057518|0.059659|0.051548|0.053430|0.045786|0.043142|0.046113|0.053824|0.081196|0.080400|0.109712|0.152379|0.094849|0.301443|0.500000| |1.511299|1.575681|0.042980|1.487549|1.421907|1.341660|1.320256|1.372067|1.457480|2.452837|0.050934|0.050838|1.952185|2.303893|2.562236|3.147247|3.434190|2.879098|2.411043|3.753232|4.632548|7.540084|0.144383|0.127043|8.953369|0.209901|17.608480|6.915512|5.150023|4.012036|3.783475|4.338110|5.899192|6.308963|0.042655|0.042917|0.038675|0.039548|0.035847|0.034923|0.037209|0.041334|0.051818|0.052683|0.066260|0.080195|0.059175|0.124792|0.139274|0.500000| |1.666016|1.751090|0.048142|1.630311|1.558975|1.453746|1.414714|1.467038|1.574490|2.761066|0.056637|0.057410|2.249515|2.723139|3.050073|3.898913|4.435169|3.577125|2.889729|4.397583|6.641629|9.167530|0.168538|0.141179|8.746779|0.216761|17.592904|5.437800|4.202494|3.292033|3.082319|3.479833|4.612184|7.721420|0.046606|0.047683|0.042337|0.043726|0.038814|0.037147|0.039397|0.044481|0.060109|0.060117|0.077029|0.099266|0.069519|0.174901|0.231431|0.302947|0.500000| |1.681602|1.736877|0.047170|1.613870|1.522149|1.420205|1.397144|1.466734|1.578967|2.734801|0.057004|0.055932|2.224228|2.670888|3.111221|3.986946|4.125947|3.237172|2.713431|4.096665|5.561449|9.420246|0.209280|0.145363|8.740225|0.173080|17.578261|6.565429|4.511420|3.646356|3.641379|4.493244|6.521713|8.757994|0.047662|0.048187|0.042648|0.042286|0.037647|0.036674|0.039701|0.045186|0.058391|0.060724|0.081035|0.086139|0.063329|0.132720|0.178511|0.302451|0.300593|0.500000| |1.584967|1.690212|0.045347|1.652003|1.586484|1.527993|1.528309|1.586659|1.651454|2.654900|0.056314|0.056323|2.004190|2.359334|2.495416|2.944230|3.371543|3.067699|2.565704|4.107119|4.143447|7.280000|0.124932|0.164070|7.057036|0.229731|4.800490|8.886324|17.694877|8.937751|5.653787|4.953150|5.634607|5.352230|0.045221|0.043769|0.040570|0.043376|0.040763|0.040784|0.043426|0.046553|0.052266|0.052957|0.063229|0.089272|0.065648|0.122656|0.101576|0.133796|0.115234|0.112888|0.500000| |1.447504|1.519599|0.040404|1.505184|1.439130|1.404732|1.430198|1.495148|1.536029|2.338135|0.050228|0.048999|1.731929|1.970085|2.082930|2.352292|2.527214|2.340250|2.071474|3.383112|2.851690|4.808137|0.091952|0.107916|4.106211|0.114907|3.298902|5.636196|8.923541|17.735623|8.914640|5.643583|4.951185|4.339999|0.041767|0.039699|0.037387|0.038916|0.037416|0.038552|0.041614|0.043659|0.044985|0.046530|0.054432|0.066257|0.053292|0.080339|0.072449|0.094583|0.079842|0.085109|0.216168|0.500000| 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